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(-)py-cclib.new/Makefile (-1 / +4 lines)
Lines 6-12 Link Here
6 
#
 6 
#
7 

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PORTNAME=	cclib

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PORTNAME=	cclib

        

          
            

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PORTVERSION=	0.9


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PORTVERSION=	0.91

            

        

          10
          
CATEGORIES=	devel python

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CATEGORIES=	devel python

        

        

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MASTER_SITES=	SF

          11
          
MASTER_SITES=	SF

        

        

          12
          
PKGNAMEPREFIX=	${PYTHON_PKGNAMEPREFIX}

          12
          
PKGNAMEPREFIX=	${PYTHON_PKGNAMEPREFIX}

        

  

    
      
            Lines 14-19
          
      
      
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          14
          
MAINTAINER=	wenheping@gmail.com

          14
          
MAINTAINER=	wenheping@gmail.com

        

        

          15
          
COMMENT=	Parsers And Algorithms For Computational Chemistry

          15
          
COMMENT=	Parsers And Algorithms For Computational Chemistry

        

        

          16
          

          16
          

        

            

              
              
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BUILD_DEPENDS=	${PYNUMPY}

            

            

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RUN_DEPENDS=	${PYNUMPY}

            

            

              19
              

            

        

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USE_PYTHON=	yes

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USE_PYTHON=	yes

        

        

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USE_PYDISTUTILS=	yes

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USE_PYDISTUTILS=	yes

        

        

          19
          

          22
          

        



(-)py-cclib.new/distinfo
      (-3 / +3 lines)




  

    
      
            Lines 1-3
          
      
      
        Link Here
      
    
  

          
            

              1
              
MD5 (cclib-0.9.tar.gz) = 436187c0f388285cb0a7f7b83fab827d


              1
              
MD5 (cclib-0.91.tar.gz) = 64dddde2cf1ab50cf8cb7f2882c88025

            

            

              2
              
SHA256 (cclib-0.9.tar.gz) = 2ed8f8b0c5dd76d663e906bca07518f113edd7bf3f684259af64acf70da11866


              2
              
SHA256 (cclib-0.91.tar.gz) = 2d33930179a29ee050d296011cfe8b672419baa2ed341234f557b1ae2bbc121c

            

            

              3
              
SIZE (cclib-0.9.tar.gz) = 4887705


              3
              
SIZE (cclib-0.91.tar.gz) = 4888037

            



(-)py-cclib.new/files/patch-setup.py
      (-13 lines)




  

    
      
            Lines 1-13
          
      
      
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              1
              
--- setup.py.orig	2008-07-10 04:15:26.000000000 +0800

              
              
            

            

              2
              
+++ setup.py	2008-07-10 04:15:53.000000000 +0800

            

            

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@@ -45,8 +45,8 @@

            

            

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     test_prefix = cclib_prefix + '/test'

            

            

              5
              
     data_prefix = cclib_prefix + '/data'

            

            

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     cclib_datafiles = [ (cclib_prefix, ['ANNOUNCE', 'CHANGELOG', 'INSTALL', 'LICENSE', 'README', 'THANKS']),

            

            

              7
              
-                        (test_prefix, ['test/testdata']),

            

            

              8
              
-                        (data_prefix, ['data/regressionfiles.txt', 'data/wget.sh'])]

            

            

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+                        (test_prefix, ['test/testdata'])]

            

            

              10
              
+#                        (data_prefix, ['data/regressionfiles.txt', 'data/wget.sh'])]

            

            

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     for program in programs:

            

            

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         data_dirs = os.listdir('data/%s' %program)

            

            

              13
              
         for data_dir in data_dirs:

            



(-)py-cclib.new/pkg-plist
      (-367 / +81 lines)




  

    
      
            Lines 1-389
          
      
      
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          1
          
bin/ccget

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bin/ccget

        

        

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bin/cda

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bin/cda

        

            

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%%PYTHON_SITELIBDIR%%/cclib/data.py

              
              
            

        

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%%PYTHON_SITELIBDIR%%/cclib/__init__.py

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%%PYTHON_SITELIBDIR%%/cclib/__init__.py

        

          
            

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%%PYTHON_SITELIBDIR%%/cclib/parser/adfparser.py


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%%PYTHON_SITELIBDIR%%/cclib/__init__.pyc

            

            

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%%PYTHON_SITELIBDIR%%/cclib/parser/gamessparser.py


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%%PYTHON_SITELIBDIR%%/cclib/__init__.pyo

            

            

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%%PYTHON_SITELIBDIR%%/cclib/parser/gamessukparser.py


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%%PYTHON_SITELIBDIR%%/cclib/bridge/__init__.py

            

            

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%%PYTHON_SITELIBDIR%%/cclib/parser/gaussianparser.py


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%%PYTHON_SITELIBDIR%%/cclib/bridge/__init__.pyc

            

            

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%%PYTHON_SITELIBDIR%%/cclib/parser/jaguarparser.py


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%%PYTHON_SITELIBDIR%%/cclib/bridge/__init__.pyo

            

            

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%%PYTHON_SITELIBDIR%%/cclib/parser/logfileparser.py


              9
              
%%PYTHON_SITELIBDIR%%/cclib/bridge/cclib2biopython.py

            

            

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%%PYTHON_SITELIBDIR%%/cclib/parser/molproparser.py


              10
              
%%PYTHON_SITELIBDIR%%/cclib/bridge/cclib2biopython.pyc

            

            

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%%PYTHON_SITELIBDIR%%/cclib/parser/orcaparser.py


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%%PYTHON_SITELIBDIR%%/cclib/bridge/cclib2biopython.pyo

            

            

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%%PYTHON_SITELIBDIR%%/cclib/parser/utils.py


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%%PYTHON_SITELIBDIR%%/cclib/bridge/cclib2openbabel.py

            

            

              
              

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%%PYTHON_SITELIBDIR%%/cclib/bridge/cclib2openbabel.pyc

            

            


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%%PYTHON_SITELIBDIR%%/cclib/bridge/cclib2openbabel.pyo

            

            


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%%PYTHON_SITELIBDIR%%/cclib/bridge/cclib2pyquante.py

            

            


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%%PYTHON_SITELIBDIR%%/cclib/bridge/cclib2pyquante.pyc

            

            


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%%PYTHON_SITELIBDIR%%/cclib/bridge/cclib2pyquante.pyo

            

            


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%%PYTHON_SITELIBDIR%%/cclib/data.py

            

            


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%%PYTHON_SITELIBDIR%%/cclib/data.pyc

            

            


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%%PYTHON_SITELIBDIR%%/cclib/data.pyo

            

            


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%%PYTHON_SITELIBDIR%%/cclib/method/__init__.py

            

            


              22
              
%%PYTHON_SITELIBDIR%%/cclib/method/__init__.pyc

            

            


              23
              
%%PYTHON_SITELIBDIR%%/cclib/method/__init__.pyo

            

            


              24
              
%%PYTHON_SITELIBDIR%%/cclib/method/calculationmethod.py

            

            


              25
              
%%PYTHON_SITELIBDIR%%/cclib/method/calculationmethod.pyc

            

            


              26
              
%%PYTHON_SITELIBDIR%%/cclib/method/calculationmethod.pyo

            

            


              27
              
%%PYTHON_SITELIBDIR%%/cclib/method/cda.py

            

            


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%%PYTHON_SITELIBDIR%%/cclib/method/cda.pyc

            

            


              29
              
%%PYTHON_SITELIBDIR%%/cclib/method/cda.pyo

            

            


              30
              
%%PYTHON_SITELIBDIR%%/cclib/method/cspa.py

            

            


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%%PYTHON_SITELIBDIR%%/cclib/method/cspa.pyc

            

            


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%%PYTHON_SITELIBDIR%%/cclib/method/cspa.pyo

            

            


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%%PYTHON_SITELIBDIR%%/cclib/method/density.py

            

            


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%%PYTHON_SITELIBDIR%%/cclib/method/density.pyc

            

            


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%%PYTHON_SITELIBDIR%%/cclib/method/density.pyo

            

            


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%%PYTHON_SITELIBDIR%%/cclib/method/fragments.py

            

            


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%%PYTHON_SITELIBDIR%%/cclib/method/fragments.pyc

            

            


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%%PYTHON_SITELIBDIR%%/cclib/method/fragments.pyo

            

            


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%%PYTHON_SITELIBDIR%%/cclib/method/lpa.py

            

            


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%%PYTHON_SITELIBDIR%%/cclib/method/lpa.pyc

            

            


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%%PYTHON_SITELIBDIR%%/cclib/method/lpa.pyo

            

            


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%%PYTHON_SITELIBDIR%%/cclib/method/mbo.py

            

            


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%%PYTHON_SITELIBDIR%%/cclib/method/mbo.pyc

            

            


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%%PYTHON_SITELIBDIR%%/cclib/method/mbo.pyo

            

            


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%%PYTHON_SITELIBDIR%%/cclib/method/mpa.py

            

            


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%%PYTHON_SITELIBDIR%%/cclib/method/mpa.pyc

            

            


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%%PYTHON_SITELIBDIR%%/cclib/method/mpa.pyo

            

            


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%%PYTHON_SITELIBDIR%%/cclib/method/opa.py

            

            


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%%PYTHON_SITELIBDIR%%/cclib/method/opa.pyc

            

            


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%%PYTHON_SITELIBDIR%%/cclib/method/opa.pyo

            

            


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%%PYTHON_SITELIBDIR%%/cclib/method/population.py

            

            


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%%PYTHON_SITELIBDIR%%/cclib/method/population.pyc

            

            


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%%PYTHON_SITELIBDIR%%/cclib/method/population.pyo

            

            


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%%PYTHON_SITELIBDIR%%/cclib/method/volume.py

            

            


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%%PYTHON_SITELIBDIR%%/cclib/method/volume.pyc

            

            


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%%PYTHON_SITELIBDIR%%/cclib/method/volume.pyo

            

        

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%%PYTHON_SITELIBDIR%%/cclib/parser/__init__.py

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%%PYTHON_SITELIBDIR%%/cclib/parser/__init__.py

        

            

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%%PYTHON_SITELIBDIR%%/cclib/parser/adfparser.pyc

              
              
            

            

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%%PYTHON_SITELIBDIR%%/cclib/parser/gamessparser.pyc

            

            

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%%PYTHON_SITELIBDIR%%/cclib/parser/gamessukparser.pyc

            

            

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%%PYTHON_SITELIBDIR%%/cclib/parser/gaussianparser.pyc

            

            

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%%PYTHON_SITELIBDIR%%/cclib/parser/jaguarparser.pyc

            

            

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%%PYTHON_SITELIBDIR%%/cclib/parser/logfileparser.pyc

            

            

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%%PYTHON_SITELIBDIR%%/cclib/parser/molproparser.pyc

            

            

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%%PYTHON_SITELIBDIR%%/cclib/parser/orcaparser.pyc

            

            

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%%PYTHON_SITELIBDIR%%/cclib/parser/utils.pyc

            

        

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%%PYTHON_SITELIBDIR%%/cclib/parser/__init__.pyc

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%%PYTHON_SITELIBDIR%%/cclib/parser/__init__.pyc

        

            

              
              
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%%PYTHON_SITELIBDIR%%/cclib/parser/__init__.pyo

            

            

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%%PYTHON_SITELIBDIR%%/cclib/parser/adfparser.py

            

            

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%%PYTHON_SITELIBDIR%%/cclib/parser/adfparser.pyc

            

        

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%%PYTHON_SITELIBDIR%%/cclib/parser/adfparser.pyo

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%%PYTHON_SITELIBDIR%%/cclib/parser/adfparser.pyo

        

            

              
              
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%%PYTHON_SITELIBDIR%%/cclib/parser/gamessparser.py

            

            

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%%PYTHON_SITELIBDIR%%/cclib/parser/gamessparser.pyc

            

        

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%%PYTHON_SITELIBDIR%%/cclib/parser/gamessparser.pyo

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%%PYTHON_SITELIBDIR%%/cclib/parser/gamessparser.pyo

        

            

              
              
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%%PYTHON_SITELIBDIR%%/cclib/parser/gamessukparser.py

            

            

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%%PYTHON_SITELIBDIR%%/cclib/parser/gamessukparser.pyc

            

        

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%%PYTHON_SITELIBDIR%%/cclib/parser/gamessukparser.pyo

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%%PYTHON_SITELIBDIR%%/cclib/parser/gamessukparser.pyo

        

            

              
              
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%%PYTHON_SITELIBDIR%%/cclib/parser/gaussianparser.py

            

            

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%%PYTHON_SITELIBDIR%%/cclib/parser/gaussianparser.pyc

            

        

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%%PYTHON_SITELIBDIR%%/cclib/parser/gaussianparser.pyo

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%%PYTHON_SITELIBDIR%%/cclib/parser/gaussianparser.pyo

        

            

              
              
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%%PYTHON_SITELIBDIR%%/cclib/parser/jaguarparser.py

            

            

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%%PYTHON_SITELIBDIR%%/cclib/parser/jaguarparser.pyc

            

        

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%%PYTHON_SITELIBDIR%%/cclib/parser/jaguarparser.pyo

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%%PYTHON_SITELIBDIR%%/cclib/parser/jaguarparser.pyo

        

            

              
              
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%%PYTHON_SITELIBDIR%%/cclib/parser/logfileparser.py

            

            

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%%PYTHON_SITELIBDIR%%/cclib/parser/logfileparser.pyc

            

        

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%%PYTHON_SITELIBDIR%%/cclib/parser/logfileparser.pyo

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%%PYTHON_SITELIBDIR%%/cclib/parser/logfileparser.pyo

        

            

              
              
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%%PYTHON_SITELIBDIR%%/cclib/parser/molproparser.py

            

            

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%%PYTHON_SITELIBDIR%%/cclib/parser/molproparser.pyc

            

        

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%%PYTHON_SITELIBDIR%%/cclib/parser/molproparser.pyo

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%%PYTHON_SITELIBDIR%%/cclib/parser/molproparser.pyo

        

            

              
              
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%%PYTHON_SITELIBDIR%%/cclib/parser/orcaparser.py

            

            

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%%PYTHON_SITELIBDIR%%/cclib/parser/orcaparser.pyc

            

        

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%%PYTHON_SITELIBDIR%%/cclib/parser/orcaparser.pyo

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%%PYTHON_SITELIBDIR%%/cclib/parser/orcaparser.pyo

        

            

              
              
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%%PYTHON_SITELIBDIR%%/cclib/parser/utils.py

            

            

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%%PYTHON_SITELIBDIR%%/cclib/parser/utils.pyc

            

        

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%%PYTHON_SITELIBDIR%%/cclib/parser/utils.pyo

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%%PYTHON_SITELIBDIR%%/cclib/parser/utils.pyo

        

            

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%%PYTHON_SITELIBDIR%%/cclib/parser/__init__.pyo

              
              
            

            

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%%PYTHON_SITELIBDIR%%/cclib/progress/qt4progress.py

            

            

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%%PYTHON_SITELIBDIR%%/cclib/progress/qtprogress.py

            

            

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%%PYTHON_SITELIBDIR%%/cclib/progress/textprogress.py

            

        

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%%PYTHON_SITELIBDIR%%/cclib/progress/__init__.py

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%%PYTHON_SITELIBDIR%%/cclib/progress/__init__.py

        

            

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%%PYTHON_SITELIBDIR%%/cclib/progress/qt4progress.pyc

              
              
            

            

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%%PYTHON_SITELIBDIR%%/cclib/progress/qtprogress.pyc

            

            

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%%PYTHON_SITELIBDIR%%/cclib/progress/textprogress.pyc

            

        

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%%PYTHON_SITELIBDIR%%/cclib/progress/__init__.pyc

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%%PYTHON_SITELIBDIR%%/cclib/progress/__init__.pyc

        

            

              
              
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%%PYTHON_SITELIBDIR%%/cclib/progress/__init__.pyo

            

            

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%%PYTHON_SITELIBDIR%%/cclib/progress/qt4progress.py

            

            

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%%PYTHON_SITELIBDIR%%/cclib/progress/qt4progress.pyc

            

        

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%%PYTHON_SITELIBDIR%%/cclib/progress/qt4progress.pyo

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%%PYTHON_SITELIBDIR%%/cclib/progress/qt4progress.pyo

        

            

              
              
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%%PYTHON_SITELIBDIR%%/cclib/progress/qtprogress.py

            

            

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%%PYTHON_SITELIBDIR%%/cclib/progress/qtprogress.pyc

            

        

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%%PYTHON_SITELIBDIR%%/cclib/progress/qtprogress.pyo

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%%PYTHON_SITELIBDIR%%/cclib/progress/qtprogress.pyo

        

            

              
              
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%%PYTHON_SITELIBDIR%%/cclib/progress/textprogress.py

            

            

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%%PYTHON_SITELIBDIR%%/cclib/progress/textprogress.pyc

            

        

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%%PYTHON_SITELIBDIR%%/cclib/progress/textprogress.pyo

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%%PYTHON_SITELIBDIR%%/cclib/progress/textprogress.pyo

        

          
            

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%%PYTHON_SITELIBDIR%%/cclib/progress/__init__.pyo


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@dirrm %%PYTHON_SITELIBDIR%%/cclib/bridge

            

            

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%%PYTHON_SITELIBDIR%%/cclib/method/calculationmethod.py


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@dirrm %%PYTHON_SITELIBDIR%%/cclib/method

            

            

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%%PYTHON_SITELIBDIR%%/cclib/method/cda.py


              
              
            

            

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%%PYTHON_SITELIBDIR%%/cclib/method/cspa.py


            

            

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%%PYTHON_SITELIBDIR%%/cclib/method/density.py


            

            

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%%PYTHON_SITELIBDIR%%/cclib/method/fragments.py


            

            

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%%PYTHON_SITELIBDIR%%/cclib/method/lpa.py


            

            

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%%PYTHON_SITELIBDIR%%/cclib/method/mbo.py


            

            

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%%PYTHON_SITELIBDIR%%/cclib/method/mpa.py


            

            

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%%PYTHON_SITELIBDIR%%/cclib/method/opa.py


            

            

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%%PYTHON_SITELIBDIR%%/cclib/method/population.py


            

            

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%%PYTHON_SITELIBDIR%%/cclib/method/volume.py


            

            

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%%PYTHON_SITELIBDIR%%/cclib/method/__init__.py


            

            

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%%PYTHON_SITELIBDIR%%/cclib/method/calculationmethod.pyc


            

            

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%%PYTHON_SITELIBDIR%%/cclib/method/cda.pyc


            

            

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%%PYTHON_SITELIBDIR%%/cclib/method/cspa.pyc


            

            

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%%PYTHON_SITELIBDIR%%/cclib/method/density.pyc


            

            

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%%PYTHON_SITELIBDIR%%/cclib/method/fragments.pyc


            

            

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%%PYTHON_SITELIBDIR%%/cclib/method/lpa.pyc


            

            

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%%PYTHON_SITELIBDIR%%/cclib/method/mbo.pyc


            

            

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%%PYTHON_SITELIBDIR%%/cclib/method/mpa.pyc


            

            

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%%PYTHON_SITELIBDIR%%/cclib/method/opa.pyc


            

            

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%%PYTHON_SITELIBDIR%%/cclib/method/population.pyc


            

            

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%%PYTHON_SITELIBDIR%%/cclib/method/volume.pyc


            

            

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%%PYTHON_SITELIBDIR%%/cclib/method/__init__.pyc


            

            

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%%PYTHON_SITELIBDIR%%/cclib/method/calculationmethod.pyo


            

            

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%%PYTHON_SITELIBDIR%%/cclib/method/cda.pyo


            

            

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%%PYTHON_SITELIBDIR%%/cclib/method/cspa.pyo


            

            

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%%PYTHON_SITELIBDIR%%/cclib/method/density.pyo


            

            

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%%PYTHON_SITELIBDIR%%/cclib/method/fragments.pyo


            

            

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%%PYTHON_SITELIBDIR%%/cclib/method/lpa.pyo


            

            

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%%PYTHON_SITELIBDIR%%/cclib/method/mbo.pyo


            

            

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%%PYTHON_SITELIBDIR%%/cclib/method/mpa.pyo


            

            

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%%PYTHON_SITELIBDIR%%/cclib/method/opa.pyo


            

            

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%%PYTHON_SITELIBDIR%%/cclib/method/population.pyo


            

            

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%%PYTHON_SITELIBDIR%%/cclib/method/volume.pyo


            

            

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%%PYTHON_SITELIBDIR%%/cclib/method/__init__.pyo


            

            

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%%PYTHON_SITELIBDIR%%/cclib/bridge/cclib2biopython.py


            

            

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%%PYTHON_SITELIBDIR%%/cclib/bridge/cclib2openbabel.py


            

            

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%%PYTHON_SITELIBDIR%%/cclib/bridge/cclib2pyquante.py


            

            

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%%PYTHON_SITELIBDIR%%/cclib/bridge/__init__.py


            

            

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%%PYTHON_SITELIBDIR%%/cclib/bridge/cclib2biopython.pyc


            

            

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%%PYTHON_SITELIBDIR%%/cclib/bridge/cclib2openbabel.pyc


            

            

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%%PYTHON_SITELIBDIR%%/cclib/bridge/cclib2pyquante.pyc


            

            

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%%PYTHON_SITELIBDIR%%/cclib/bridge/__init__.pyc


            

            

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%%PYTHON_SITELIBDIR%%/cclib/bridge/cclib2biopython.pyo


            

            

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%%PYTHON_SITELIBDIR%%/cclib/bridge/cclib2openbabel.pyo


            

            

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%%PYTHON_SITELIBDIR%%/cclib/bridge/cclib2pyquante.pyo


            

            

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%%PYTHON_SITELIBDIR%%/cclib/bridge/__init__.pyo


            

            

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%%PYTHON_SITELIBDIR%%/cclib/test/bettertest.py


            

            

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              281
              
%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/dvb_sp_basis_b.log


            

            

              282
              
%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/dvb_td.gjf


            

            

              283
              
%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/dvb_td.out


            

            

              284
              
%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/dvb_un_sp.gjf


            

            

              285
              
%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/dvb_un_sp.out


            

            

              286
              
%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/dvb_un_sp_b.gjf


            

            

              287
              
%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/dvb_un_sp_b.log


            

            

              288
              
%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/metadata.txt


            

            

              289
              
%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/Mo4OCl4-sp.com


            

            

              290
              
%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/Mo4OCl4-sp.log


            

            

              291
              
%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_ccd.com


            

            

              292
              
%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_ccd.log


            

            

              293
              
%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_ccsd(t).com


            

            

              294
              
%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_ccsd(t).log


            

            

              295
              
%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_ccsd.com


            

            

              296
              
%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_ccsd.log


            

            

              297
              
%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_cis.com


            

            

              298
              
%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_cis.log


            

            

              299
              
%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_cisd.com


            

            

              300
              
%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_cisd.log


            

            

              301
              
%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_mp2.com


            

            

              302
              
%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_mp2.log


            

            

              303
              
%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_mp3.com


            

            

              304
              
%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_mp3.log


            

            

              305
              
%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_mp4.com


            

            

              306
              
%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_mp4.log


            

            

              307
              
%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_mp4sdq.com


            

            

              308
              
%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_mp4sdq.log


            

            

              309
              
%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_mp5.com


            

            

              310
              
%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_mp5.log


            

            

              311
              
%%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0/dvb_gopt.in


            

            

              312
              
%%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0/dvb_gopt.out


            

            

              313
              
%%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0/dvb_gopt_b.in


            

            

              314
              
%%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0/dvb_gopt_b.out


            

            

              315
              
%%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0/dvb_ir.in


            

            

              316
              
%%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0/dvb_ir.out


            

            

              317
              
%%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0/dvb_sp.in


            

            

              318
              
%%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0/dvb_sp.out


            

            

              319
              
%%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0/dvb_sp_b.in


            

            

              320
              
%%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0/dvb_sp_b.out


            

            

              321
              
%%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0/dvb_un_sp.in


            

            

              322
              
%%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0/dvb_un_sp.out


            

            

              323
              
%%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0/water_cis.in


            

            

              324
              
%%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0/water_cis.out


            

            

              325
              
%%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0/water_lmp2.in


            

            

              326
              
%%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0/water_lmp2.out


            

            

              327
              
%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/C_bigbasis.com


            

            

              328
              
%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/C_bigbasis.out


            

            

              329
              
%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/dvb_gopt.com


            

            

              330
              
%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/dvb_gopt.log


            

            

              331
              
%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/dvb_gopt.out


            

            

              332
              
%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/dvb_ir.com


            

            

              333
              
%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/dvb_ir.log


            

            

              334
              
%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/dvb_ir.out


            

            

              335
              
%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/dvb_sphf.com


            

            

              336
              
%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/dvb_sphf.out


            

            

              337
              
%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/dvb_sphf_un.com


            

            

              338
              
%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/dvb_sphf_un.out


            

            

              339
              
%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/dvb_spks.com


            

            

              340
              
%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/dvb_spks.out


            

            

              341
              
%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/h2o_ccd.com


            

            

              342
              
%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/h2o_ccd.out


            

            

              343
              
%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/h2o_ccsd(t).com


            

            

              344
              
%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/h2o_ccsd(t).out


            

            

              345
              
%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/h2o_ccsd.com


            

            

              346
              
%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/h2o_ccsd.out


            

            

              347
              
%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/h2o_mp2.com


            

            

              348
              
%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/h2o_mp2.out


            

            

              349
              
%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/h2o_mp3.com


            

            

              350
              
%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/h2o_mp3.out


            

            

              351
              
%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/h2o_mp4.com


            

            

              352
              
%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/h2o_mp4.out


            

            

              353
              
%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/metadata.txt


            

            

              354
              
%%PYTHON_SITELIBDIR%%/cclib/data/ORCA/basicORCA2.6/dvb_gopt.inp


            

            

              355
              
%%PYTHON_SITELIBDIR%%/cclib/data/ORCA/basicORCA2.6/dvb_gopt.out


            

            

              356
              
%%PYTHON_SITELIBDIR%%/cclib/data/ORCA/basicORCA2.6/dvb_ir.inp


            

            

              357
              
%%PYTHON_SITELIBDIR%%/cclib/data/ORCA/basicORCA2.6/dvb_ir.out


            

            

              358
              
%%PYTHON_SITELIBDIR%%/cclib/data/ORCA/basicORCA2.6/dvb_raman.inp


            

            

              359
              
%%PYTHON_SITELIBDIR%%/cclib/data/ORCA/basicORCA2.6/dvb_raman.out


            

            

              360
              
%%PYTHON_SITELIBDIR%%/cclib/data/ORCA/basicORCA2.6/dvb_sp.inp


            

            

              361
              
%%PYTHON_SITELIBDIR%%/cclib/data/ORCA/basicORCA2.6/dvb_sp.out


            

            

              362
              
%%PYTHON_SITELIBDIR%%/cclib/data/ORCA/basicORCA2.6/dvb_td.inp


            

            

              363
              
%%PYTHON_SITELIBDIR%%/cclib/data/ORCA/basicORCA2.6/dvb_td.out


            

            

              364
              
%%PYTHON_SITELIBDIR%%/cclib/data/ORCA/basicORCA2.6/dvb_un_sp.inp


            

            

              365
              
%%PYTHON_SITELIBDIR%%/cclib/data/ORCA/basicORCA2.6/dvb_un_sp.out


            

            

              366
              
%%PYTHON_SITELIBDIR%%/cclib/data/ORCA/basicORCA2.6/water_mp2.inp


            

            

              367
              
%%PYTHON_SITELIBDIR%%/cclib/data/ORCA/basicORCA2.6/water_mp2.out


            

        

          368
          
@dirrm %%PYTHON_SITELIBDIR%%/cclib/parser

          101
          
@dirrm %%PYTHON_SITELIBDIR%%/cclib/parser

        

        

          369
          
@dirrm %%PYTHON_SITELIBDIR%%/cclib/progress

          102
          
@dirrm %%PYTHON_SITELIBDIR%%/cclib/progress

        

            

              370
              
@dirrm %%PYTHON_SITELIBDIR%%/cclib/method

              
              
            

            

              371
              
@dirrm %%PYTHON_SITELIBDIR%%/cclib/bridge

            

            

              372
              
@dirrm %%PYTHON_SITELIBDIR%%/cclib/test

            

            

              373
              
@dirrm %%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01

            

            

              374
              
@dirrm %%PYTHON_SITELIBDIR%%/cclib/data/ADF

            

            

              375
              
@dirrm %%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US

            

            

              376
              
@dirrm %%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS

            

            

              377
              
@dirrm %%PYTHON_SITELIBDIR%%/cclib/data/GAMESS

            

            

              378
              
@dirrm %%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK

            

            

              379
              
@dirrm %%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK

            

            

              380
              
@dirrm %%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03

            

            

              381
              
@dirrm %%PYTHON_SITELIBDIR%%/cclib/data/Gaussian

            

            

              382
              
@dirrm %%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0

            

            

              383
              
@dirrm %%PYTHON_SITELIBDIR%%/cclib/data/Jaguar

            

            

              384
              
@dirrm %%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006

            

            

              385
              
@dirrm %%PYTHON_SITELIBDIR%%/cclib/data/Molpro

            

            

              386
              
@dirrm %%PYTHON_SITELIBDIR%%/cclib/data/ORCA/basicORCA2.6

            

            

              387
              
@dirrm %%PYTHON_SITELIBDIR%%/cclib/data/ORCA

            

            

              388
              
@dirrm %%PYTHON_SITELIBDIR%%/cclib/data

            

        

          389
          
@dirrm %%PYTHON_SITELIBDIR%%/cclib

          103
          
@dirrm %%PYTHON_SITELIBDIR%%/cclib

        






  

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